551163

Diethyl (2-cyanoethyl)phosphonate

95%

• Synonym(s): (2-Cyanoethyl)-phosphonic acid diethyl ester, 3-(Diethylphosphono)propionitrile, NSC 43781, NSC 74863
• Linear Formula: NC(CH₂)₂P(O)(OC₂H₅)₂
• CAS Number: 10123-62-3
• Molecular Weight: 191.16
• EC Number: 233-327-4
• MDL number: MFCD00013825
• UNSPSC Code: 12352108
• PubChem Substance ID: 24879203
• NACRES: NA.22

Properties

• Assay: 95%
• reaction suitability: reaction type: C-C Bond Formation
• refractive index: n20/D 1.4380 (lit.)
• bp: 110 °C/0.1 mmHg (lit.)
• density: 1.08 g/mL at 25 °C (lit.)
• SMILES string: CCOP(=O)(CCC#N)OCC
• InChI: 1S/C7H14NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-5,7H2,1-2H3
• InChI key: LDOZIDLMPNCNDI-UHFFFAOYSA-N

Description

Application

Reactant for:

• Heteroatom-directed alkyl cyanation of alkynes
• Use as a fluorescent substrate for carbon-phosphorous lyase
• Microwave-assisted cleavage of phosphate, phosphonate, and phorphoramide esters
• Amination and stereoselective olefination for synthesis of HIV-1 antivirals

Reactant for synthesis of:

• Base-catalyzed stereospecific anti-Markovnikov addition reactants
• Lipophilic oxoamides with activity against phospholipase A2
• Triose phosphate isomerase of muscle inhibitors

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves